CID 596995

4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzoic acid

Structural Information

Molecular Formula
C15H10N2O3
SMILES
C1=CC=C(C=C1)C2=NN=C(O2)C3=CC=C(C=C3)C(=O)O
InChI
InChI=1S/C15H10N2O3/c18-15(19)12-8-6-11(7-9-12)14-17-16-13(20-14)10-4-2-1-3-5-10/h1-9H,(H,18,19)
InChIKey
KJSLGQIRTJNTKD-UHFFFAOYSA-N
Compound name
4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

9
References

21
Patents

266.06915 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.076426 157.4
[M+Na]+ 289.058368 166.1
[M-H]- 265.061874 164.6
[M+NH4]+ 284.102973 170.3
[M+K]+ 305.032308 162.8
[M+H-H2O]+ 249.066410 148.3
[M+HCOO]- 311.067351 178.3
[M+CH3COO]- 325.083001 169.6
[M+Na-2H]- 287.043816 162.2
[M]+ 266.06860142 158.4
[M]- 266.06969858 158.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe